N-[2-cyano-1-(oxan-4-yl)ethyl]-2-methylpropanamide

C12H20N2O2 — CID 164830172

IUPACN-[2-cyano-1-(oxan-4-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(CC#N)C1CCOCC1
InChIInChI=1S/C12H20N2O2/c1-9(2)12(15)14-11(3-6-13)10-4-7-16-8-5-10/h9-11H,3-5,7-8H2,1-2H3,(H,14,15)
InChIKeyWPLWTPSNSCQZRB-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.47
Rot. Bonds4

About N-[2-cyano-1-(oxan-4-yl)ethyl]-2-methylpropanamide

N-[2-cyano-1-(oxan-4-yl)ethyl]-2-methylpropanamide (PubChem CID 164830172) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[2-cyano-1-(oxan-4-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-cyano-1-(oxan-4-yl)ethyl]-2-methylpropanamide
PubChem CID164830172
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[2-cyano-1-(oxan-4-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(CC#N)C1CCOCC1
InChIInChI=1S/C12H20N2O2/c1-9(2)12(15)14-11(3-6-13)10-4-7-16-8-5-10/h9-11H,3-5,7-8H2,1-2H3,(H,14,15)
InChIKeyWPLWTPSNSCQZRB-UHFFFAOYSA-N
XLogP1.47
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide
CID 114115162
N-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide
CID 170087415
2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide
CID 120801790
(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797658
N-[1-(oxan-4-yl)ethyl]cyclopropanecarboxamide
CID 103769201
3-(dimethylamino)-3-(oxan-4-yl)propanenitrile
CID 116910000
2-amino-N-(1-cyclopentylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792981
N-[1-(oxan-4-yl)ethyl]butanamide
CID 103769211
2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794307
(2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide
CID 103833265
2-(methylamino)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
CID 119801745
2-amino-N-(3-methylbutan-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783425

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-1-(oxan-4-yl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-cyano-1-(oxan-4-yl)ethyl]-2-methylpropanamide (CID 164830172) is N-[2-cyano-1-(oxan-4-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-cyano-1-(oxan-4-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-cyano-1-(oxan-4-yl)ethyl]-2-methylpropanamide is CC(C)C(=O)NC(CC#N)C1CCOCC1.
What is the InChIKey of N-[2-cyano-1-(oxan-4-yl)ethyl]-2-methylpropanamide?
The InChIKey is WPLWTPSNSCQZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)12(15)14-11(3-6-13)10-4-7-16-8-5-10/h9-11H,3-5,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-[2-cyano-1-(oxan-4-yl)ethyl]-2-methylpropanamide?
N-[2-cyano-1-(oxan-4-yl)ethyl]-2-methylpropanamide has a molecular weight of 224.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-1-(oxan-4-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 164830172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).